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21-Chloropregn-4-ene-3,11,20-trione

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21-Chloropregn-4-ene-3,11,20-trione
SpectraBase Compound ID 8uT2jTldm0X
InChI InChI=1S/C21H27ClO3/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
InChIKey FBFKHOLKMUOZHP-KJQYFISQSA-N
Mol Weight 362.9 g/mol
Molecular Formula C21H27ClO3
Exact Mass 362.164872 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LoxIPHATQ3M
Name 21-Chloropregn-4-ene-3,11,20-trione
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39833-05-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClO3
InChI InChI=1S/C21H27ClO3/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
InChIKey FBFKHOLKMUOZHP-KJQYFISQSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 186-187C
Molecular Weight 362.896580
Synonyms PREGN-4-ENE-3,11,20-TRIONE, 21-CHLORO-,
Technique KBr WAFER